Monomers

2-Cyclohexylacrylic acid methyl ester

Identifiers

IUPAC name
methyl 2-cyclohexylprop-2-enoate
InchI
InChI=1S/C10H16O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InchI Key
XHYNRSNMLFADHQ-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)C1CCCCC1
Canonical SMILES
COC(=O)C(=C)C1CCCCC1
Isomeric SMILES
COC(=O)C(=C)C1CCCCC1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O2
Heavy Atom Count
12
Molecular Weight
168.236
Exact Molecular Weight
168.115
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.2959
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 28 28  0  0  0  0  0  0  0  0999 V2000
    4.5336    0.9013   -0.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4266    0.0192   -0.3031 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603    0.3771    0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0211    1.5511    0.5558 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0393   -0.5908    0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146   -1.8107   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2938   -0.1737    0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2518   -1.3237    0.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5644   -0.8740    1.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1670    0.1680    0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2164    1.3415    0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411    0.9702   -0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3604    1.8299   -0.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3756    0.3269   -0.7798 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8821    1.0818    0.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2101   -2.0924   -0.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4170   -2.5088   -0.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1643    0.2061    1.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7980   -2.1463    1.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3957   -1.6282   -0.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3008   -1.7007    1.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3146   -0.4596    2.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1035    0.5082    0.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3014   -0.3111   -0.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2439    1.8155    1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6325    2.0439   -0.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    1.8394   -0.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8619    0.6398   -1.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
 10 23  1  0
 10 24  1  0
 11 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers